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This paper describes an implementation of the L-BFGS method designed to deal with two adversarial situations. The first occurs in distributed computing environments where some of the computational nodes devoted to the evaluation of the…

Optimization and Control · Mathematics 2019-08-28 Albert S. Berahas , Martin Takáč

We develop a new density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wavefunction which obeys exactly the Gutzwiller approximation for…

Superconductivity · Physics 2009-11-13 K. M. Ho , J. Schmalian , C. Z. Wang

Conformal Field Theory in a Minkowski setting is discussed in an embedding space approach, paying special attention to causality constraints for four-point amplitudes. The physics of dilatation and Lorentz boost is emphasized in specifying…

High Energy Physics - Theory · Physics 2024-09-12 Pulkit Agarwal , Richard C. Brower , Timothy G. Raben , Chung-I Tan

We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…

Nuclear Theory · Physics 2009-12-04 J. E. Drut , R. J. Furnstahl , L. Platter

We introduce a method for the estimation of uncertainties in density-functional-theory (DFT) calculations for atomistic systems. The method is based on the construction of an uncertainty-aware functional distribution (UAFD) in a space…

Materials Science · Physics 2025-07-14 Teitur Hansen , Jens Jørgen Mortensen , Thomas Bligaard , Karsten Wedel Jacobsen

A quadratic approximation of neural network loss landscapes has been extensively used to study the optimization process of these networks. Though, it usually holds in a very small neighborhood of the minimum, it cannot explain many…

Machine Learning · Computer Science 2022-06-23 Chao Ma , Daniel Kunin , Lei Wu , Lexing Ying

Density Functional Theory (DFT) stands as a widely used and efficient approach for addressing the many-electron Schr\"odinger equation across various domains such as physics, chemistry, and biology. However, a core challenge that persists…

Computational Engineering, Finance, and Science · Computer Science 2024-12-25 Sizhuo Jin , Shuo Chen , Jianjun Qian , Ying Tai , Jun Li

Recently, a Monte Carlo approach was proposed for processing highly redundant continuous frames. In this paper we present and analyze applications of this new theory. The computational complexity of the Monte Carlo method relies on the…

Numerical Analysis · Mathematics 2021-10-11 Ron Levie , Haim Avron

We present a comprehensive study of the effective Conformal Field Theory (CFT) describing the low energy excitations of a gas of spinless interacting fermions on a circle in the gapless regime (Luttinger liquid). Functional techniques and…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 P. Degiovanni , Ch. Chaubet , R. Melin

The GW approach produces highly accurate quasiparticle energies, but its application to large systems is computationally challenging, which can be largely attributed to the difficulty in computing the inverse dielectric matrix. To address…

Materials Science · Physics 2023-07-26 Mario G. Zauchner , Andrew Horsfield , Johannes Lischner

Self-consistent solutions of Hedin's diagrammatic theory equations (HE) for the two-site Hubbard Model (HM) have been studied. They have been found for three-point vertices of increasing complexity ($\Gamma=1$ (GW approximation),…

Strongly Correlated Electrons · Physics 2016-05-27 A. L. Kutepov

Multivariate functional data present theoretical and practical complications which are not found in univariate functional data. One of these is a situation where the component functions of multivariate functional data are positive and are…

Methodology · Statistics 2023-03-09 Cody Carroll , Hans-Georg Müller

We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential $\Omega…

Other Condensed Matter · Physics 2018-11-20 Klaas J. H. Giesbertz , Anna-Maija Uimonen , Robert van Leeuwen

In this article, a new method, called FWP, is proposed for clustering longitudinal curves. In the proposed method, clusters of mean functions are identified through a weighted concave pairwise fusion method. The EM algorithm and the…

Methodology · Statistics 2023-06-14 Xin Wang

We apply a recently introduced hybridization-flow functional renormalization group scheme for Anderson-like impurity models as an impurity solver in a dynamical mean-field theory (DMFT) approach to lattice Hubbard models. We present how…

Strongly Correlated Electrons · Physics 2013-11-21 Michael Kinza , Carsten Honerkamp

Lattice field theory is a useful tool for studying strongly interacting theories in condensed matter physics. A prominent example is the unitary Fermi gas: a two-component system of fermions interacting with divergent scattering length.…

Quantum Gases · Physics 2011-03-23 Olga Goulko , Matthew Wingate

We unveil a remarkable interplay between rigid field theories (RFTs), charge-to-mass ratios $\gamma$ and scalar curvature divergences $\mathsf{R}_{\rm div}$ in the vector multiplet moduli space of 4d ${\cal N}=2$ supergravities, obtained…

High Energy Physics - Theory · Physics 2025-02-05 Alberto Castellano , Fernando Marchesano , Luca Melotti , Lorenzo Paoloni

The variational cluster approximation proposed by Potthoff is applied to the calculation of the single-particle spectral function of the transition metal oxides MnO, CoO and NiO. Trial self-energies and the numerical value of the…

Strongly Correlated Electrons · Physics 2009-11-13 R. Eder

This paper introduces a novel ansatz-based technique for solution of the Hubbard model over two length scales. Short range correlations are treated exactly using a dynamical cluster approximation QMC simulation, while longer-length-scale…

Strongly Correlated Electrons · Physics 2009-11-10 J. P. Hague , Mark Jarrell , T. C. Schulthess

Traditionally, multitask learning (MTL) assumes that all the tasks are related. This can lead to negative transfer when tasks are indeed incoherent. Recently, a number of approaches have been proposed that alleviate this problem by…

Machine Learning · Computer Science 2012-06-22 Wenliang Zhong , James Kwok
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